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Chemical ID: 4190433
Chemical ID:
4190433
Name [?]:
4-benzoyl-5-(4-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)F)CCO)O
InChi [?]:
InChI=1/C19H16FNO4/c20-14-8-6-12(7-9-14)16-15(17(23)13-4-2-1-3-5-13)18(24)19(25)21(16)10-11-22/h1-9,16,22,24H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,16,20,17,19,22,23,15,4,18,9,14,7,10,11,21,13,24,8,25,12/E:(2,3)(4,5)(6,7)(8,9)/rA:25cCCCCCCCOCCCONCCCCCCCFCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;d9;s10;d11;s11;s9s13;s14;s15;d16;s17;d18;d15s19;s18;s13;s22;s23;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16FNO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.80646 |
Area: | 520.746 |
Solvation: | -5.21219 |
Coulombic: | -64.5903 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.333 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.65 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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